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39 similar compounds to monomer 178836

Compile data set for download or QSAR
Wt: 904.4
BDBM145106
Wt: 886.4
BDBM145074
Wt: 902.4
BDBM145122
Wt: 942.2
BDBM145169
Wt: 974.9
BDBM145180
Wt: 897.8
BDBM145139
Wt: 879.8
BDBM145190
Wt: 943.4
BDBM145150
Wt: 867.4
BDBM178782
Wt: 886.4
BDBM178737
Wt: 902.4
BDBM178884
Wt: 891.4
BDBM178890
Wt: 882.4
BDBM178745
Wt: 890.4
BDBM178747
Wt: 868.4
BDBM178711
Displayed 1 to 15 (of 39 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 145106,145074,145122,145169,145180,145139,145190,145150,178782,178737,178884,178890,178745,178747,178711   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145106
PNG
(US8952157, 296 | US9303025, 296)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClF2N5O8S/c1-45(2)13-11-32(37(27-45)30-3-5-33(47)6-4-30)28-52-17-19-53(20-18-52)34-7-9-36(42(24-34)62-43-23-31-12-16-50-39(31)26-38(43)48)44(55)51-63(58,59)35-8-10-41(40(25-35)54(56)57)61-29-46(49)14-21-60-22-15-46/h3-10,12,16,23-26,50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145180
PNG
(US8952157, 371 | US9303025, 371)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2F3N7O7S/c1-45(2)12-11-31(38(24-45)30-3-5-32(47)6-4-30)28-55-17-19-57(20-18-55)33-7-9-37(42(21-33)65-35-22-39(48)43(52)53-27-35)44(59)54-66(62,63)36-8-10-41(40(23-36)58(60)61)64-29-46(51)13-15-56(16-14-46)34(25-49)26-50/h3-10,21-23,27,34H,11-20,24-26,28-29H2,1-2H3,(H2,52,53)(H,54,59)
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<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145139
PNG
(US8952157, 330 | US9303025, 330)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47Cl2FN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(44)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(45)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,49,53)
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<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145122
PNG
(US8952157, 313 | US9303025, 313)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O9S/c1-45(2)15-14-31(37(27-45)30-6-8-32(47)9-7-30)28-51-18-20-52(21-19-51)33-10-12-35(42(24-33)62-40-5-3-4-38-36(40)26-43(54)49-38)44(55)50-63(58,59)34-11-13-41(39(25-34)53(56)57)61-29-46(48)16-22-60-23-17-46/h3-13,24-25H,14-23,26-29H2,1-2H3,(H,49,54)(H,50,55)
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<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145106
PNG
(US8952157, 296 | US9303025, 296)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H48ClF2N5O8S/c1-45(2)13-11-32(37(27-45)30-3-5-33(47)6-4-30)28-52-17-19-53(20-18-52)34-7-9-36(42(24-34)62-43-23-31-12-16-50-39(31)26-38(43)48)44(55)51-63(58,59)35-8-10-41(40(25-35)54(56)57)61-29-46(49)14-21-60-22-15-46/h3-10,12,16,23-26,50H,11,13-15,17-22,27-29H2,1-2H3,(H,51,55)
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<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178884
PNG
(US9125913, 456)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(F)(F)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClF2N7O6S/c1-45(2)17-16-32(37(26-45)31-6-8-33(47)9-7-31)28-54-20-22-55(23-21-54)34-10-12-36(42(24-34)62-41-5-3-4-39-43(41)52-29-51-39)44(57)53-63(60,61)35-11-13-38(40(25-35)56(58)59)50-27-30-14-18-46(48,49)19-15-30/h3-13,24-25,29-30,50H,14-23,26-28H2,1-2H3,(H,51,52)(H,53,57)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145180
PNG
(US8952157, 371 | US9303025, 371)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C(CF)CF)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52Cl2F3N7O7S/c1-45(2)12-11-31(38(24-45)30-3-5-32(47)6-4-30)28-55-17-19-57(20-18-55)33-7-9-37(42(21-33)65-35-22-39(48)43(52)53-27-35)44(59)54-66(62,63)36-8-10-41(40(23-36)58(60)61)64-29-46(51)13-15-56(16-14-46)34(25-49)26-50/h3-10,21-23,27,34H,11-20,24-26,28-29H2,1-2H3,(H2,52,53)(H,54,59)
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US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145139
PNG
(US8952157, 330 | US9303025, 330)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47Cl2FN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(44)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(45)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,49,53)
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US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145122
PNG
(US8952157, 313 | US9303025, 313)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O9S/c1-45(2)15-14-31(37(27-45)30-6-8-32(47)9-7-30)28-51-18-20-52(21-19-51)33-10-12-35(42(24-33)62-40-5-3-4-38-36(40)26-43(54)49-38)44(55)50-63(58,59)34-11-13-41(39(25-34)53(56)57)61-29-46(48)16-22-60-23-17-46/h3-13,24-25H,14-23,26-29H2,1-2H3,(H,49,54)(H,50,55)
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US Patent
<0.0100<-15.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145150
PNG
(US8952157, 341 | US9303025, 341)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H53ClF2N6O7S/c1-48(2)15-13-34(40(29-48)32-3-5-35(50)6-4-32)30-55-21-23-57(24-22-55)37-9-11-39(45(26-37)65-46-25-33-14-18-53-42(33)28-41(46)51)47(59)54-66(62,63)38-10-12-44(43(27-38)58(60)61)64-31-49(52)16-19-56(20-17-49)36-7-8-36/h3-6,9-12,14,18,25-28,36,53H,7-8,13,15-17,19-24,29-31H2,1-2H3,(H,54,59)
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US Patent
0.0170 -14.7n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145150
PNG
(US8952157, 341 | US9303025, 341)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCN(CC4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C49H53ClF2N6O7S/c1-48(2)15-13-34(40(29-48)32-3-5-35(50)6-4-32)30-55-21-23-57(24-22-55)37-9-11-39(45(26-37)65-46-25-33-14-18-53-42(33)28-41(46)51)47(59)54-66(62,63)38-10-12-44(43(27-38)58(60)61)64-31-49(52)16-19-56(20-17-49)36-7-8-36/h3-6,9-12,14,18,25-28,36,53H,7-8,13,15-17,19-24,29-31H2,1-2H3,(H,54,59)
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0.0170 -14.7n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145190
PNG
(US8952157, 381 | US9303025, 381)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48Cl2N6O8S/c1-43(2)14-11-30(36(24-43)29-3-5-31(44)6-4-29)26-49-15-17-50(18-16-49)32-7-9-35(40(21-32)59-33-22-37(45)41(46)47-25-33)42(52)48-60(55,56)34-8-10-39(38(23-34)51(53)54)58-27-28-12-19-57-20-13-28/h3-10,21-23,25,28H,11-20,24,26-27H2,1-2H3,(H2,46,47)(H,48,52)
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0.0200 -14.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145190
PNG
(US8952157, 381 | US9303025, 381)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H48Cl2N6O8S/c1-43(2)14-11-30(36(24-43)29-3-5-31(44)6-4-29)26-49-15-17-50(18-16-49)32-7-9-35(40(21-32)59-33-22-37(45)41(46)47-25-33)42(52)48-60(55,56)34-8-10-39(38(23-34)51(53)54)58-27-28-12-19-57-20-13-28/h3-10,21-23,25,28H,11-20,24,26-27H2,1-2H3,(H2,46,47)(H,48,52)
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0.0200 -14.6n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178890
PNG
(US9125913, 462)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(CC4)C#N)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H51ClN8O6S/c1-47(2)19-18-34(39(26-47)33-10-12-35(48)13-11-33)29-54-20-22-55(23-21-54)36-14-16-38(44(24-36)62-43-5-3-4-41-45(43)52-30-51-41)46(57)53-63(60,61)37-15-17-40(42(25-37)56(58)59)50-28-32-8-6-31(27-49)7-9-32/h3-5,10-17,24-25,30-32,50H,6-9,18-23,26,28-29H2,1-2H3,(H,51,52)(H,53,57)
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US Patent
0.0260n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145169
PNG
(US8952157, 360 | US9303025, 360)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Br)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47BrClFN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(45)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(44)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,49,53)
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0.0500 -14.0n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145169
PNG
(US8952157, 360 | US9303025, 360)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Br)c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C43H47BrClFN6O8S/c1-42(2)12-11-29(35(24-42)28-3-5-30(45)6-4-28)26-50-15-17-51(18-16-50)31-7-9-34(39(21-31)60-32-22-36(44)40(47)48-25-32)41(53)49-61(56,57)33-8-10-38(37(23-33)52(54)55)59-27-43(46)13-19-58-20-14-43/h3-10,21-23,25H,11-20,24,26-27H2,1-2H3,(H2,47,48)(H,49,53)
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0.0500 -14.0n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145074
PNG
(US8952157, 264 | US9303025, 264)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O8S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)28-51-17-19-52(20-18-51)35-7-9-37(43(24-35)61-44-23-32-12-16-49-40(32)26-39(44)48)45(54)50-62(57,58)36-8-10-42(41(25-36)53(55)56)60-29-30-13-21-59-22-14-30/h3-10,12,16,23-26,30,49H,11,13-15,17-22,27-29H2,1-2H3,(H,50,54)
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0.0680 -13.9n/an/an/an/an/an/a25



AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...


US Patent US8952157 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65G9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM145074
PNG
(US8952157, 264 | US9303025, 264)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O8S/c1-46(2)15-11-33(38(27-46)31-3-5-34(47)6-4-31)28-51-17-19-52(20-18-51)35-7-9-37(43(24-35)61-44-23-32-12-16-49-40(32)26-39(44)48)45(54)50-62(57,58)36-8-10-42(41(25-36)53(55)56)60-29-30-13-21-59-22-14-30/h3-10,12,16,23-26,30,49H,11,13-15,17-22,27-29H2,1-2H3,(H,50,54)
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0.0680 -13.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9303025 (2016)


BindingDB Entry DOI: 10.7270/Q2XD10JP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178737
PNG
(US9125913, 306)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O8S/c1-45(2)16-14-32(38(28-45)31-6-8-33(47)9-7-31)29-51-20-22-52(23-21-51)34-10-12-37(43(26-34)61-41-5-3-4-39-36(41)15-19-49-39)44(54)50-62(57,58)35-11-13-42(40(27-35)53(55)56)60-30-46(48)17-24-59-25-18-46/h3-13,15,19,26-27,49H,14,16-18,20-25,28-30H2,1-2H3,(H,50,54)
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0.0770n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178711
PNG
(US9125913, 279)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN5O8S/c1-46(2)17-13-34(40(28-46)32-3-5-35(47)6-4-32)29-50-19-21-51(22-20-50)36-7-10-39(44(26-36)60-37-8-11-41-33(25-37)14-18-48-41)45(53)49-61(56,57)38-9-12-43(42(27-38)52(54)55)59-30-31-15-23-58-24-16-31/h3-12,14,18,25-27,31,48H,13,15-17,19-24,28-30H2,1-2H3,(H,49,53)
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0.0950n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178747
PNG
(US9125913, 316)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCCS(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48ClN5O9S2/c1-44(2)18-16-31(37(28-44)30-8-10-32(45)11-9-30)29-48-20-22-49(23-21-48)33-12-14-36(42(26-33)59-40-7-4-6-38-35(40)17-19-46-38)43(51)47-61(56,57)34-13-15-41(39(27-34)50(52)53)58-24-5-25-60(3,54)55/h4,6-15,17,19,26-27,46H,5,16,18,20-25,28-29H2,1-3H3,(H,47,51)
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0.149n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178782
PNG
(US9125913, 353)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClN6O7S/c1-46(2)18-14-33(40(29-46)31-4-6-34(47)7-5-31)30-51-22-24-52(25-23-51)35-8-11-39(44(27-35)60-37-9-12-41-32(26-37)15-19-48-41)45(54)49-61(57,58)38-10-13-43(42(28-38)53(55)56)59-36-16-20-50(3)21-17-36/h4-13,15,19,26-28,36,48H,14,16-18,20-25,29-30H2,1-3H3,(H,49,54)
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0.292n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178884
PNG
(US9125913, 456)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(F)(F)CC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClF2N7O6S/c1-45(2)17-16-32(37(26-45)31-6-8-33(47)9-7-31)28-54-20-22-55(23-21-54)34-10-12-36(42(24-34)62-41-5-3-4-39-43(41)52-29-51-39)44(57)53-63(60,61)35-11-13-38(40(25-35)56(58)59)50-27-30-14-18-46(48,49)19-15-30/h3-13,24-25,29-30,50H,14-23,26-28H2,1-2H3,(H,51,52)(H,53,57)
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0.540n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Mus musculus (Mouse))
BDBM178745
PNG
(US9125913, 314)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClN5O8S/c1-47(2)19-14-34(40(30-47)33-6-8-35(48)9-7-33)31-51-21-23-52(24-22-51)36-10-12-39(45(28-36)61-43-5-3-4-41-38(43)15-20-49-41)46(54)50-62(57,58)37-11-13-44(42(29-37)53(55)56)60-27-18-32-16-25-59-26-17-32/h3-13,15,20,28-29,32,49H,14,16-19,21-27,30-31H2,1-2H3,(H,50,54)
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3.07n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178890
PNG
(US9125913, 462)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCC(CC4)C#N)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]cnc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H51ClN8O6S/c1-47(2)19-18-34(39(26-47)33-10-12-35(48)13-11-33)29-54-20-22-55(23-21-54)36-14-16-38(44(24-36)62-43-5-3-4-41-45(43)52-30-51-41)46(57)53-63(60,61)37-15-17-40(42(25-37)56(58)59)50-28-32-8-6-31(27-49)7-9-32/h3-5,10-17,24-25,30-32,50H,6-9,18-23,26,28-29H2,1-2H3,(H,51,52)(H,53,57)
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18.4n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178737
PNG
(US9125913, 306)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H49ClFN5O8S/c1-45(2)16-14-32(38(28-45)31-6-8-33(47)9-7-31)29-51-20-22-52(23-21-51)34-10-12-37(43(26-34)61-41-5-3-4-39-36(41)15-19-49-39)44(54)50-62(57,58)35-11-13-42(40(27-35)53(55)56)60-30-46(48)17-24-59-25-18-46/h3-13,15,19,26-27,49H,14,16-18,20-25,28-30H2,1-2H3,(H,50,54)
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47.9n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178747
PNG
(US9125913, 316)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCCS(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C44H48ClN5O9S2/c1-44(2)18-16-31(37(28-44)30-8-10-32(45)11-9-30)29-48-20-22-49(23-21-48)33-12-14-36(42(26-33)59-40-7-4-6-38-35(40)17-19-46-38)43(51)47-61(56,57)34-13-15-41(39(27-34)50(52)53)58-24-5-25-60(3,54)55/h4,6-15,17,19,26-27,46H,5,16,18,20-25,28-29H2,1-3H3,(H,47,51)
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79.5n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178745
PNG
(US9125913, 314)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C47H52ClN5O8S/c1-47(2)19-14-34(40(30-47)33-6-8-35(48)9-7-33)31-51-21-23-52(24-22-51)36-10-12-39(45(28-36)61-43-5-3-4-41-38(43)15-20-49-41)46(54)50-62(57,58)37-11-13-44(42(29-37)53(55)56)60-27-18-32-16-25-59-26-17-32/h3-13,15,20,28-29,32,49H,14,16-19,21-27,30-31H2,1-2H3,(H,50,54)
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>660n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178782
PNG
(US9125913, 353)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C46H51ClN6O7S/c1-46(2)18-14-33(40(29-46)31-4-6-34(47)7-5-31)30-51-22-24-52(25-23-51)35-8-11-39(44(27-35)60-37-9-12-41-32(26-37)15-19-48-41)45(54)49-61(57,58)38-10-13-43(42(28-38)53(55)56)59-36-16-20-50(3)21-17-36/h4-13,15,19,26-28,36,48H,14,16-18,20-25,29-30H2,1-3H3,(H,49,54)
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>660n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178711
PNG
(US9125913, 279)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN5O8S/c1-46(2)17-13-34(40(28-46)32-3-5-35(47)6-4-32)29-50-19-21-51(22-20-50)36-7-10-39(44(26-36)60-37-8-11-41-33(25-37)14-18-48-41)45(53)49-61(56,57)38-9-12-43(42(27-38)52(54)55)59-30-31-15-23-58-24-16-31/h3-12,14,18,25-27,31,48H,13,15-17,19-24,28-30H2,1-2H3,(H,49,53)
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>660n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair